3-[(4-bromothiophen-2-yl)methyl]-N-methyloxan-4-amine

C11H16BrNOS — CID 106469214

IUPAC3-[(4-bromothiophen-2-yl)methyl]-N-methyloxan-4-amine
SMILESCNC1CCOCC1Cc1cc(Br)cs1
InChIInChI=1S/C11H16BrNOS/c1-13-11-2-3-14-6-8(11)4-10-5-9(12)7-15-10/h5,7-8,11,13H,2-4,6H2,1H3
InChIKeyGDGDOSDBLQNWQW-UHFFFAOYSA-N
MW290.23 g/mol
LogP2.68
Rot. Bonds3

About 3-[(4-bromothiophen-2-yl)methyl]-N-methyloxan-4-amine

3-[(4-bromothiophen-2-yl)methyl]-N-methyloxan-4-amine (PubChem CID 106469214) has the molecular formula C11H16BrNOS and a molecular weight of 290.23 g/mol. Its IUPAC name is 3-[(4-bromothiophen-2-yl)methyl]-N-methyloxan-4-amine.

Molecular Properties

Compound Name3-[(4-bromothiophen-2-yl)methyl]-N-methyloxan-4-amine
PubChem CID106469214
Molecular FormulaC11H16BrNOS
Molecular Weight290.23 g/mol
Exact Mass289.01
IUPAC Name3-[(4-bromothiophen-2-yl)methyl]-N-methyloxan-4-amine
SMILESCNC1CCOCC1Cc1cc(Br)cs1
InChIInChI=1S/C11H16BrNOS/c1-13-11-2-3-14-6-8(11)4-10-5-9(12)7-15-10/h5,7-8,11,13H,2-4,6H2,1H3
InChIKeyGDGDOSDBLQNWQW-UHFFFAOYSA-N
XLogP2.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.23
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-bromothiophen-2-yl)methyl]-N-ethyloxan-4-amine
CID 106469388
4-bromo-3-[(4-bromothiophen-2-yl)methyl]oxane
CID 106471691
(3R,4R)-3-[(4-bromophenyl)methyl]-N-methyloxan-4-amine
CID 97167857
(3S,4S)-3-[(4-bromophenyl)methyl]-N-methyloxan-4-amine
CID 97167860
2-[(4-bromothiophen-2-yl)methyl]-N-methyl-4-propylcyclohexan-1-amine
CID 63403329
2-[(4-bromothiophen-2-yl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine
CID 63401772
3-[(2,5-dichlorophenyl)methyl]-N-methyloxan-4-amine
CID 71648098
(3R,4S)-3-[(2,5-dichlorophenyl)methyl]-N-methyloxan-4-amine
CID 97167854
3-[(2-chlorophenyl)methyl]-N-methyloxan-4-amine
CID 71648111
(3R,4R)-3-[(2-fluorophenyl)methyl]-N-methyloxan-4-amine
CID 97167909
(3R,4S)-3-[(2-fluorophenyl)methyl]-N-methyloxan-4-amine
CID 97167910
(3S,4R)-3-[(2-fluorophenyl)methyl]-N-methyloxan-4-amine
CID 97167911

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromothiophen-2-yl)methyl]-N-methyloxan-4-amine?
The IUPAC name of 3-[(4-bromothiophen-2-yl)methyl]-N-methyloxan-4-amine (CID 106469214) is 3-[(4-bromothiophen-2-yl)methyl]-N-methyloxan-4-amine.
What is the SMILES notation for 3-[(4-bromothiophen-2-yl)methyl]-N-methyloxan-4-amine?
The canonical SMILES for 3-[(4-bromothiophen-2-yl)methyl]-N-methyloxan-4-amine is CNC1CCOCC1Cc1cc(Br)cs1.
What is the InChIKey of 3-[(4-bromothiophen-2-yl)methyl]-N-methyloxan-4-amine?
The InChIKey is GDGDOSDBLQNWQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNOS/c1-13-11-2-3-14-6-8(11)4-10-5-9(12)7-15-10/h5,7-8,11,13H,2-4,6H2,1H3.
What are the key properties of 3-[(4-bromothiophen-2-yl)methyl]-N-methyloxan-4-amine?
3-[(4-bromothiophen-2-yl)methyl]-N-methyloxan-4-amine has a molecular weight of 290.23 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromothiophen-2-yl)methyl]-N-methyloxan-4-amine is sourced from PubChem (CID 106469214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).